(1R,2R,4S)-3-cyclopropyl-3-methylbicyclo[2.2.1]heptan-2-amine

C11H19N — CID 164833763

IUPAC(1R,2R,4S)-3-cyclopropyl-3-methylbicyclo[2.2.1]heptan-2-amine
SMILESCC1(C2CC2)[C@H]2CC[C@H](C2)[C@H]1N
InChIInChI=1S/C11H19N/c1-11(8-4-5-8)9-3-2-7(6-9)10(11)12/h7-10H,2-6,12H2,1H3/t7-,9+,10-,11?/m1/s1
InChIKeyWLMZPIFGUMQIFR-KSNGIRGQSA-N
MW165.28 g/mol
LogP2.16
Rot. Bonds1

About (1R,2R,4S)-3-cyclopropyl-3-methylbicyclo[2.2.1]heptan-2-amine

(1R,2R,4S)-3-cyclopropyl-3-methylbicyclo[2.2.1]heptan-2-amine (PubChem CID 164833763) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is (1R,2R,4S)-3-cyclopropyl-3-methylbicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name(1R,2R,4S)-3-cyclopropyl-3-methylbicyclo[2.2.1]heptan-2-amine
PubChem CID164833763
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name(1R,2R,4S)-3-cyclopropyl-3-methylbicyclo[2.2.1]heptan-2-amine
SMILESCC1(C2CC2)[C@H]2CC[C@H](C2)[C@H]1N
InChIInChI=1S/C11H19N/c1-11(8-4-5-8)9-3-2-7(6-9)10(11)12/h7-10H,2-6,12H2,1H3/t7-,9+,10-,11?/m1/s1
InChIKeyWLMZPIFGUMQIFR-KSNGIRGQSA-N
XLogP2.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,2R,4S)-3,3-dimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride
CID 164833462
(1R,2R,3S,4S)-3-ethyl-3-methylbicyclo[2.2.1]heptan-2-amine
CID 164833686
(1S,2S,4R)-3,3-diethylbicyclo[2.2.1]heptan-2-amine
CID 164833516
(1S,1'R,2'R,4S)-7,7-dimethyl-2,3'-spirobi[bicyclo[2.2.1]heptane]-2'-amine
CID 164833769
(1S,2S,3'S,4R,4'S)-3',4'-dimethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-amine
CID 170439888
(1S,2'S,3R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,4'-cyclopentane]-1',2'-diol
CID 170440355
(1R,2'R,3S,4S)-3-aminospiro[bicyclo[2.2.1]heptane-2,4'-cyclopentane]-1',2'-diol
CID 167144751
(2R,4S)-spiro[bicyclo[2.2.1]heptane-3,2'-bicyclo[2.2.2]octane]-2-amine
CID 164833704
(1S,2S,3R,3'S,4R)-3'-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-amine
CID 164833383
(2R,4S)-3',4'-dimethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine
CID 164833645
(1S,1'S,2'S,3R,4R)-3-amino-2'-methylspiro[bicyclo[2.2.1]heptane-2,4'-cyclopentane]-1'-ol
CID 164833743
(1S,3R,4R)-2,2,3-trimethylbicyclo[2.2.1]heptane
CID 14744268

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S)-3-cyclopropyl-3-methylbicyclo[2.2.1]heptan-2-amine?
The IUPAC name of (1R,2R,4S)-3-cyclopropyl-3-methylbicyclo[2.2.1]heptan-2-amine (CID 164833763) is (1R,2R,4S)-3-cyclopropyl-3-methylbicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for (1R,2R,4S)-3-cyclopropyl-3-methylbicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for (1R,2R,4S)-3-cyclopropyl-3-methylbicyclo[2.2.1]heptan-2-amine is CC1(C2CC2)[C@H]2CC[C@H](C2)[C@H]1N.
What is the InChIKey of (1R,2R,4S)-3-cyclopropyl-3-methylbicyclo[2.2.1]heptan-2-amine?
The InChIKey is WLMZPIFGUMQIFR-KSNGIRGQSA-N. The full InChI is InChI=1S/C11H19N/c1-11(8-4-5-8)9-3-2-7(6-9)10(11)12/h7-10H,2-6,12H2,1H3/t7-,9+,10-,11?/m1/s1.
What are the key properties of (1R,2R,4S)-3-cyclopropyl-3-methylbicyclo[2.2.1]heptan-2-amine?
(1R,2R,4S)-3-cyclopropyl-3-methylbicyclo[2.2.1]heptan-2-amine has a molecular weight of 165.28 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S)-3-cyclopropyl-3-methylbicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 164833763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).